Compound Identification
SMILES
COC(=O)C(CC1=CN=CN1)NC(CC(C)C)C(O)=O
InChIKey
InChIKey=OUCNDOJSPCFHFU-UHFFFAOYSA-N
Formula
C13H21N3O4
Mass
283.328
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Histidine and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Histidine and derivatives
Alternative Parents
Leucine and derivatives Alpha amino acid esters Alpha amino acids Imidazolyl carboxylic acids and derivatives Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Leucine or derivatives - Alpha-amino acid ester - Alpha-amino acid - Imidazolyl carboxylic acid derivative - Aralkylamine - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Azole - Heteroaromatic compound - Methyl ester - Imidazole - Amino acid - Carboxylic acid ester - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available